2,3-dimethyl-N-octadecylbenzamide

C27H47NO — CID 174462915

IUPAC2,3-dimethyl-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccc(C)c1C
InChIInChI=1S/C27H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-27(29)26-22-20-21-24(2)25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)
InChIKeyRSRIKBBTOZFYAW-UHFFFAOYSA-N
MW401.68 g/mol
LogP8.29
Rot. Bonds18

About 2,3-dimethyl-N-octadecylbenzamide

2,3-dimethyl-N-octadecylbenzamide (PubChem CID 174462915) has the molecular formula C27H47NO and a molecular weight of 401.68 g/mol. Its IUPAC name is 2,3-dimethyl-N-octadecylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-octadecylbenzamide
PubChem CID174462915
Molecular FormulaC27H47NO
Molecular Weight401.68 g/mol
Exact Mass401.37
IUPAC Name2,3-dimethyl-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccc(C)c1C
InChIInChI=1S/C27H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-27(29)26-22-20-21-24(2)25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)
InChIKeyRSRIKBBTOZFYAW-UHFFFAOYSA-N
XLogP8.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-hexyl-2-methylbenzamide
CID 3017102
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
CID 47337096
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2,3-diamino-N-hexadecylbenzamide
CID 68850287
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-octadecylbenzamide?
The IUPAC name of 2,3-dimethyl-N-octadecylbenzamide (CID 174462915) is 2,3-dimethyl-N-octadecylbenzamide.
What is the SMILES notation for 2,3-dimethyl-N-octadecylbenzamide?
The canonical SMILES for 2,3-dimethyl-N-octadecylbenzamide is CCCCCCCCCCCCCCCCCCNC(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-octadecylbenzamide?
The InChIKey is RSRIKBBTOZFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-27(29)26-22-20-21-24(2)25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29).
What are the key properties of 2,3-dimethyl-N-octadecylbenzamide?
2,3-dimethyl-N-octadecylbenzamide has a molecular weight of 401.68 g/mol, XLogP of 8.29, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-octadecylbenzamide is sourced from PubChem (CID 174462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).